#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2mei s VAL 2 N 0.00 3.97 0.58 3.15 1.01 -1.26 -1.16 120.40 126.69 2mei s VAL 2 Ca 0.00 -1.31 -0.18 0.00 0.00 0.00 0.00 61.98 60.50 2mei s VAL 2 Cb 0.00 -3.36 -0.04 0.00 0.00 0.00 0.00 36.38 32.98 2mei s VAL 2 CO 0.00 -0.36 1.10 -0.36 0.00 0.00 0.00 175.10 175.48 2mei s PHE 3 N 1.40 2.73 0.19 5.22 0.40 -0.51 -5.01 117.98 122.40 2mei s PHE 3 Ca 0.01 1.55 -0.08 0.00 -0.60 0.00 0.00 56.93 57.81 2mei s PHE 3 Cb -0.21 -3.19 -0.07 0.00 0.51 0.00 0.00 43.02 40.06 2mei s PHE 3 CO 0.02 -1.47 0.48 -1.21 0.70 0.00 0.00 175.22 173.74 2mei s GLU 4 N -3.62 3.73 0.10 0.44 2.02 -1.26 -4.87 118.70 115.25 2mei s GLU 4 Ca 0.69 0.13 -0.22 0.00 0.02 0.00 0.00 54.97 55.59 2mei s GLU 4 Cb -0.21 -2.74 -0.06 0.00 0.10 0.00 0.00 34.13 31.22 2mei s GLU 4 CO 0.32 0.38 1.38 -0.09 0.02 0.00 0.00 175.26 177.27 2mei h ARG 5 N 2.69 -0.12 0.00 1.61 2.43 -1.96 -1.68 114.38 117.36 2mei h ARG 5 Ca -0.47 0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 58.64 2mei h ARG 5 Cb 1.17 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.73 2mei h ARG 5 CO 0.70 -0.08 -0.37 0.00 -1.51 0.00 0.00 179.97 178.72 2mei h GLU 7 N 0.00 0.35 -0.65 0.00 4.81 -1.84 -1.39 114.58 115.85 2mei h GLU 7 Ca -0.00 -0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 59.12 2mei h GLU 7 Cb 0.66 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.95 2mei h GLU 7 CO 0.05 0.33 0.15 1.25 -0.73 0.00 0.00 179.01 180.06 2mei h LEU 8 N 0.28 1.00 -0.25 1.64 5.85 -1.02 -1.78 115.31 121.02 2mei h LEU 8 Ca 0.09 -0.24 0.03 0.00 0.84 0.00 0.00 57.88 58.60 2mei h LEU 8 Cb 0.09 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.83 2mei h LEU 8 CO -0.01 0.97 0.08 0.00 -0.34 0.00 0.00 178.44 179.14 2mei h ALA 9 N 1.06 0.28 -0.19 1.25 0.00 -0.95 0.11 119.26 120.81 2mei h ALA 9 Ca 0.20 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 55.06 2mei h ALA 9 Cb 0.37 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 2mei h ALA 9 CO 0.00 -0.34 -0.28 0.00 0.00 0.00 0.00 179.25 178.64 2mei h ARG 10 N 0.19 0.37 -0.24 0.00 3.08 -1.14 -2.05 114.38 114.59 2mei h ARG 10 Ca 0.11 -0.14 -0.04 0.00 0.07 0.00 0.00 59.98 59.98 2mei h ARG 10 Cb 0.09 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 2mei h ARG 10 CO -0.12 0.62 -0.00 1.15 -1.07 0.00 0.00 179.97 180.54 2mei h THR 11 N 0.33 1.26 -0.75 2.04 2.02 -0.77 -2.11 112.91 114.93 2mei h THR 11 Ca 0.05 -0.90 -0.03 0.00 0.77 0.00 0.00 66.41 66.30 2mei h THR 11 Cb 0.66 1.38 -0.03 0.00 -1.74 0.00 0.00 68.15 68.42 2mei h THR 11 CO 0.05 0.28 0.36 -0.07 0.37 0.00 0.00 175.52 176.51 2mei h LEU 12 N 0.19 0.96 -0.69 2.58 3.38 -0.83 -1.99 115.31 118.91 2mei h LEU 12 Ca 0.07 -0.11 -0.08 0.00 0.09 0.00 0.00 57.88 57.85 2mei h LEU 12 Cb 0.41 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 2mei h LEU 12 CO 0.01 0.81 0.10 0.50 0.09 0.00 0.00 178.44 179.96 2mei h LYS 13 N 1.06 1.12 0.00 1.13 3.64 -1.24 -2.00 116.57 120.27 2mei h LYS 13 Ca 0.26 -0.30 -0.05 0.00 -1.27 0.00 0.00 60.65 59.29 2mei h LYS 13 Cb 0.11 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.79 2mei h LYS 13 CO -0.03 1.02 -0.23 -0.09 -2.27 0.00 0.00 179.45 177.85 2mei h ARG 14 N 1.04 0.00 -0.29 1.90 2.43 -0.86 -2.11 114.38 116.49 2mei h ARG 14 Ca 0.20 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.37 2mei h ARG 14 Cb 0.45 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.00 2mei h ARG 14 CO 0.01 0.23 0.00 1.28 -1.51 0.00 0.00 179.97 179.98 2mei n LEU 15 N -3.84 1.55 -0.77 3.80 4.77 -0.80 -4.92 117.00 116.80 2mei n LEU 15 Ca -0.02 -0.78 -0.07 0.00 -0.03 0.00 0.00 56.01 55.12 2mei n LEU 15 Cb 0.32 -0.19 -0.00 0.00 -2.33 0.00 0.00 43.42 41.21 2mei n LEU 15 CO 0.34 0.39 -0.09 0.61 -1.33 0.00 0.00 177.39 177.31 2mei n GLY 16 N 0.96 0.13 0.15 -0.72 0.00 -0.79 -4.96 105.19 99.95 2mei n GLY 16 Ca 0.10 -0.61 0.09 0.00 0.00 0.00 0.00 46.02 45.59 2mei n GLY 16 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 2mei h MET 17 N 0.00 0.00 -6.26 1.61 2.86 -1.55 -3.41 114.93 108.18 2mei h MET 17 Ca -0.16 0.00 -0.58 0.00 -2.06 0.00 0.00 59.70 56.90 2mei h MET 17 Cb 1.09 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.72 2mei h MET 17 CO 0.19 0.12 1.26 0.34 1.06 0.00 0.00 176.91 179.89 2mei s ASP 18 N -5.87 5.96 0.00 1.22 2.15 -1.26 -1.98 116.67 116.90 2mei s ASP 18 Ca 0.02 1.43 0.00 0.00 0.43 0.00 0.00 52.55 54.43 2mei s ASP 18 Cb 0.08 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.17 2mei s ASP 18 CO 0.75 -1.63 0.00 0.61 -0.17 0.00 0.00 175.17 174.73 2mei n GLY 19 N 5.30 0.58 3.64 2.66 0.00 0.16 -4.91 105.19 112.63 2mei n GLY 19 Ca 0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 2mei n GLY 19 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2mei s TYR 20 N -2.04 1.67 -1.47 1.61 5.04 -0.84 -1.88 117.35 119.44 2mei s TYR 20 Ca 0.00 0.12 -0.12 0.00 -2.44 0.00 0.00 57.07 54.63 2mei s TYR 20 Cb 0.00 -4.04 0.06 0.00 0.35 0.00 0.00 41.96 38.33 2mei s TYR 20 CO 0.00 -4.21 1.05 0.54 -1.34 0.00 0.00 175.55 171.59 2mei n ARG 21 N 7.63 -6.43 -0.99 4.97 5.12 -1.26 -1.86 116.66 123.85 2mei n ARG 21 Ca 0.20 0.69 0.00 0.00 -1.93 0.00 0.00 57.85 56.81 2mei n ARG 21 Cb 0.43 -5.65 0.00 0.00 -1.16 0.00 0.00 32.46 26.09 2mei n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2mei n GLY 22 N -1.81 0.60 3.50 -0.13 0.00 -0.79 -5.00 105.19 101.56 2mei n GLY 22 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 2mei n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2mei s ILE 23 N -2.44 5.06 0.72 -0.61 1.01 -0.77 -4.92 121.20 119.25 2mei s ILE 23 Ca 0.00 -0.31 -0.13 0.00 0.00 0.00 0.00 60.65 60.21 2mei s ILE 23 Cb 0.00 -3.61 0.03 0.00 0.01 0.00 0.00 42.46 38.89 2mei s ILE 23 CO 0.00 -0.00 1.12 -0.94 0.00 0.00 0.00 174.94 175.12 2mei s SER 24 N 1.68 4.66 0.23 3.58 1.04 -1.26 -0.66 113.70 122.97 2mei s SER 24 Ca 0.05 2.02 -0.07 0.00 0.48 0.00 0.00 55.95 58.44 2mei s SER 24 Cb -0.17 -2.55 0.30 0.00 0.10 0.00 0.00 66.02 63.69 2mei s SER 24 CO 0.09 -1.93 1.83 0.25 0.98 0.00 0.00 173.24 174.46 2mei h LEU 25 N -0.45 0.70 -1.99 2.42 5.85 -1.91 -1.58 115.31 118.35 2mei h LEU 25 Ca -0.46 0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.32 2mei h LEU 25 Cb 1.25 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 42.16 2mei h LEU 25 CO 0.52 0.44 0.09 0.00 -0.34 0.00 0.00 178.44 179.15 2mei h ALA 26 N 1.38 2.11 -0.22 1.25 0.00 -1.92 -0.83 119.26 121.03 2mei h ALA 26 Ca 0.34 -0.00 -0.19 0.00 0.00 0.00 0.00 54.91 55.06 2mei h ALA 26 Cb 0.20 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2mei h ALA 26 CO -0.18 -0.14 -0.61 -0.91 0.00 0.00 0.00 179.25 177.40 2mei h ASN 27 N 0.01 0.92 -0.54 0.00 2.35 -1.61 -1.57 115.58 115.15 2mei h ASN 27 Ca 0.06 -0.57 -0.08 0.00 -0.55 0.00 0.00 56.30 55.16 2mei h ASN 27 Cb 0.23 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.31 2mei h ASN 27 CO -0.00 1.33 0.04 -0.50 -1.65 0.00 0.00 177.43 176.65 2mei h TRP 28 N 0.56 1.03 -0.48 1.19 4.06 -1.03 -1.50 115.95 119.79 2mei h TRP 28 Ca -0.01 -0.15 -0.07 0.00 2.06 0.00 0.00 58.89 60.71 2mei h TRP 28 Cb 1.23 -0.28 -0.02 0.00 -1.00 0.00 0.00 29.16 29.09 2mei h TRP 28 CO 0.08 0.90 0.01 0.52 -3.56 0.00 0.00 178.44 176.40 2mei h MET 29 N 0.89 0.83 -0.64 0.49 2.86 -1.13 -1.60 114.93 116.65 2mei h MET 29 Ca 0.17 -0.26 -0.02 0.00 -2.06 0.00 0.00 59.70 57.53 2mei h MET 29 Cb 0.47 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 32.02 2mei h MET 29 CO 0.02 0.87 0.32 0.00 1.06 0.00 0.00 176.91 179.18 2mei h LEU 31 N 0.87 -0.44 -1.35 0.00 5.85 -1.06 -2.14 115.31 117.04 2mei h LEU 31 Ca 0.22 0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.97 2mei h LEU 31 Cb 0.09 0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.20 2mei h LEU 31 CO -0.03 -0.31 0.45 0.00 -0.34 0.00 0.00 178.44 178.20 2mei h ALA 32 N 0.09 1.56 0.10 1.25 0.00 -1.20 0.95 119.26 122.01 2mei h ALA 32 Ca -0.05 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 2mei h ALA 32 Cb 0.40 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2mei h ALA 32 CO 0.09 0.39 -0.05 -0.22 0.00 0.00 0.00 179.25 179.46 2mei h LYS 33 N 0.87 -0.13 0.00 0.00 1.63 -1.08 -1.93 116.57 115.93 2mei h LYS 33 Ca 0.26 0.01 -0.14 0.00 -0.85 0.00 0.00 60.65 59.92 2mei h LYS 33 Cb -0.04 0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 31.60 2mei h LYS 33 CO -0.06 -0.05 -0.67 -1.49 -3.45 0.00 0.00 179.45 173.73 2mei h TRP 34 N -0.18 0.00 -0.02 1.91 4.06 -1.08 -0.66 115.95 119.98 2mei h TRP 34 Ca -0.01 0.00 -0.17 0.00 2.06 0.00 0.00 58.89 60.77 2mei h TRP 34 Cb 0.14 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 28.32 2mei h TRP 34 CO -0.06 0.67 -0.65 0.93 -3.56 0.00 0.00 178.44 175.78 2mei h GLU 35 N 0.00 0.48 0.00 0.49 4.39 -0.78 -3.42 114.58 115.74 2mei h GLU 35 Ca -0.01 -0.49 0.00 0.00 0.34 0.00 0.00 59.36 59.21 2mei h GLU 35 Cb 1.39 0.13 0.00 0.00 -0.10 0.00 0.00 28.75 30.17 2mei h GLU 35 CO 0.09 1.13 0.00 -1.13 -1.16 0.00 0.00 179.01 177.94 2mei n SER 36 N -4.16 0.00 -1.68 1.42 3.41 -0.77 -4.86 113.62 106.98 2mei n SER 36 Ca -0.10 -0.83 -0.13 0.00 -0.26 0.00 0.00 58.87 57.55 2mei n SER 36 Cb 0.69 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.65 2mei n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2mei n GLY 37 N 0.00 -0.05 2.33 5.00 0.00 -0.25 -2.69 105.19 109.53 2mei n GLY 37 Ca 0.00 -0.30 -0.16 0.00 0.00 0.00 0.00 46.02 45.56 2mei n GLY 37 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2mei n TYR 38 N -3.99 -0.64 -3.68 1.61 4.01 -1.11 -4.78 117.16 108.58 2mei n TYR 38 Ca -0.09 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.27 2mei n TYR 38 Cb 0.58 -3.20 -0.12 0.00 -0.31 0.00 0.00 39.34 36.30 2mei n TYR 38 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 2mei s ASN 39 N -2.37 5.43 0.50 7.72 2.47 -1.09 -1.42 114.94 126.17 2mei s ASN 39 Ca 0.00 -0.56 0.29 0.00 0.42 0.00 0.00 52.86 53.01 2mei s ASN 39 Cb 0.00 -1.97 1.13 0.00 -1.45 0.00 0.00 41.25 38.96 2mei s ASN 39 CO 0.00 -0.19 1.90 0.71 -3.72 0.00 0.00 177.10 175.80 2mei h THR 40 N 5.71 0.24 -0.68 -5.21 1.35 -1.46 -3.11 112.91 109.73 2mei h THR 40 Ca -0.32 -0.79 0.00 0.00 -0.55 0.00 0.00 66.41 64.75 2mei h THR 40 Cb 1.14 1.64 0.00 0.00 -1.73 0.00 0.00 68.15 69.20 2mei h THR 40 CO 0.61 0.09 0.00 -2.11 -0.25 0.00 0.00 175.52 173.86 2mei n ARG 41 N -3.22 2.64 -2.12 4.72 1.85 -1.26 -4.05 116.66 115.22 2mei n ARG 41 Ca 0.01 -2.54 -0.41 0.00 -1.00 0.00 0.00 57.85 53.90 2mei n ARG 41 Cb 0.37 -1.55 -0.03 0.00 -1.05 0.00 0.00 32.46 30.20 2mei n ARG 41 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2mei s ALA 42 N -1.09 3.58 0.00 2.89 0.00 -1.18 -4.80 121.76 121.16 2mei s ALA 42 Ca 0.47 1.22 0.00 0.00 0.00 0.00 0.00 51.96 53.65 2mei s ALA 42 Cb 0.25 -3.52 -0.00 0.00 0.00 0.00 0.00 23.12 19.84 2mei s ALA 42 CO 0.32 -0.64 -0.01 0.95 0.00 0.00 0.00 175.76 176.39 2mei s THR 43 N 0.11 0.05 -0.08 0.00 -4.23 -1.26 -0.88 115.64 109.35 2mei s THR 43 Ca 0.58 -0.22 -0.02 0.00 -1.18 0.00 0.00 61.69 60.85 2mei s THR 43 Cb -0.39 -0.09 0.04 0.00 1.34 0.00 0.00 72.50 73.40 2mei s THR 43 CO 0.40 -0.11 0.05 0.20 -0.54 0.00 0.00 174.62 174.63 2mei s ASN 44 N -0.35 1.54 0.03 3.99 -0.87 -0.76 -4.97 114.94 113.56 2mei s ASN 44 Ca -0.04 -0.12 -0.27 0.00 -1.57 0.00 0.00 52.86 50.86 2mei s ASN 44 Cb -0.02 -0.24 -0.05 0.00 -0.02 0.00 0.00 41.25 40.92 2mei s ASN 44 CO -0.00 -0.26 0.84 -0.47 -2.57 0.00 0.00 177.10 174.63 2mei s TYR 45 N 2.11 3.72 -0.60 2.20 5.04 -1.26 -0.62 117.35 127.93 2mei s TYR 45 Ca 0.04 1.55 -0.10 0.00 -2.44 0.00 0.00 57.07 56.12 2mei s TYR 45 Cb -0.13 -2.92 0.16 0.00 0.35 0.00 0.00 41.96 39.41 2mei s TYR 45 CO -0.05 0.18 0.49 -0.80 -1.34 0.00 0.00 175.55 174.04 2mei s ASN 46 N 0.27 5.94 0.40 4.32 0.01 0.46 -4.94 114.94 121.40 2mei s ASN 46 Ca 0.43 -2.30 0.08 0.00 -0.71 0.00 0.00 52.86 50.36 2mei s ASN 46 Cb -0.21 -2.05 0.87 0.00 0.41 0.00 0.00 41.25 40.27 2mei s ASN 46 CO 0.25 -0.62 2.02 0.00 -1.51 0.00 0.00 177.10 177.24 2mei h ALA 47 N 8.04 1.78 -0.34 0.60 0.00 -1.96 -1.26 119.26 126.13 2mei h ALA 47 Ca -0.10 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.83 2mei h ALA 47 Cb 1.04 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 2mei h ALA 47 CO 0.82 0.15 0.23 0.78 0.00 0.00 0.00 179.25 181.23 2mei h GLY 48 N 0.57 0.36 0.00 0.00 0.00 -1.95 -3.28 103.07 98.77 2mei h GLY 48 Ca 0.22 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.43 2mei h GLY 48 CO -0.06 0.10 0.00 2.09 0.00 0.00 0.00 176.54 178.67 2mei n ASP 49 N -4.49 0.92 -1.83 0.19 5.75 -1.09 -5.03 116.55 110.98 2mei n ASP 49 Ca 0.03 -1.44 -0.16 0.00 -0.01 0.00 0.00 54.79 53.22 2mei n ASP 49 Cb 0.19 0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.27 2mei n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2mei n ARG 50 N -0.22 -1.29 -4.17 0.11 1.74 -0.49 -4.81 116.66 107.53 2mei n ARG 50 Ca 0.00 0.80 -0.24 0.00 -0.77 0.00 0.00 57.85 57.64 2mei n ARG 50 Cb 0.35 -5.20 -0.07 0.00 -1.02 0.00 0.00 32.46 26.52 2mei n ARG 50 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2mei s SER 51 N -2.29 4.48 0.01 0.55 1.04 -1.20 -4.44 113.70 111.85 2mei s SER 51 Ca 0.00 -0.91 0.02 0.00 0.48 0.00 0.00 55.95 55.54 2mei s SER 51 Cb 0.00 -0.61 -0.01 0.00 0.10 0.00 0.00 66.02 65.50 2mei s SER 51 CO 0.00 -0.34 -0.06 -0.89 0.98 0.00 0.00 173.24 172.93 2mei s THR 52 N -2.49 0.40 -0.17 2.02 2.01 -1.26 -0.41 115.64 115.74 2mei s THR 52 Ca 0.38 -0.54 -0.09 0.00 0.31 0.00 0.00 61.69 61.75 2mei s THR 52 Cb -0.00 -0.40 -0.05 0.00 0.01 0.00 0.00 72.50 72.06 2mei s THR 52 CO 0.22 -0.10 0.13 -1.81 -0.69 0.00 0.00 174.62 172.37 2mei s ASP 53 N -0.69 6.25 -0.06 3.53 1.01 0.21 -1.05 116.67 125.87 2mei s ASP 53 Ca -0.03 0.31 0.05 0.00 0.71 0.00 0.00 52.55 53.59 2mei s ASP 53 Cb -0.05 -2.08 -0.01 0.00 1.01 0.00 0.00 42.92 41.79 2mei s ASP 53 CO -0.00 0.26 -0.23 -0.31 0.21 0.00 0.00 175.17 175.10 2mei s TYR 54 N -0.11 2.29 0.00 4.23 2.02 -0.03 -1.82 117.35 123.92 2mei s TYR 54 Ca 0.10 -0.72 0.00 0.00 -0.37 0.00 0.00 57.07 56.09 2mei s TYR 54 Cb -0.11 -1.51 0.00 0.00 -0.40 0.00 0.00 41.96 39.93 2mei s TYR 54 CO 0.00 -0.23 0.00 0.41 -1.57 0.00 0.00 175.55 174.16 2mei n GLY 55 N 3.08 -2.02 0.34 0.71 0.00 -0.05 -1.46 105.19 105.79 2mei n GLY 55 Ca -0.18 -1.48 0.03 0.00 0.00 0.00 0.00 46.02 44.39 2mei n GLY 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2mei h ILE 56 N 0.00 1.12 -0.35 -0.61 2.10 -1.70 -1.96 117.51 116.12 2mei h ILE 56 Ca 0.00 -0.29 0.00 0.00 1.08 0.00 0.00 64.86 65.65 2mei h ILE 56 Cb 0.00 0.19 0.00 0.00 -1.09 0.00 0.00 36.82 35.92 2mei h ILE 56 CO 0.00 0.16 0.00 0.49 -1.08 0.00 0.00 178.15 177.72 2mei n PHE 57 N -4.45 0.45 -3.50 2.19 3.72 -1.26 -3.94 117.46 110.67 2mei n PHE 57 Ca 0.08 -0.28 -0.20 0.00 -0.05 0.00 0.00 57.45 57.00 2mei n PHE 57 Cb 0.11 -0.01 0.03 0.00 -0.94 0.00 0.00 39.48 38.67 2mei n PHE 57 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 2mei n GLN 58 N 1.17 -1.40 -2.48 -1.08 1.13 -0.74 -4.92 117.38 109.07 2mei n GLN 58 Ca 0.16 0.84 -0.42 0.00 -1.94 0.00 0.00 57.00 55.64 2mei n GLN 58 Cb 0.52 -4.34 -0.03 0.00 0.11 0.00 0.00 30.24 26.50 2mei n GLN 58 CO 0.00 0.00 0.00 0.71 -1.44 0.00 0.00 177.06 176.33 2mei s TYR 59 N -3.23 3.41 0.07 1.08 2.02 -0.53 -4.46 117.35 115.71 2mei s TYR 59 Ca 0.25 1.34 -0.30 0.00 -0.37 0.00 0.00 57.07 57.99 2mei s TYR 59 Cb -0.08 -3.37 -0.05 0.00 -0.40 0.00 0.00 41.96 38.06 2mei s TYR 59 CO 0.83 -1.08 1.01 1.21 -1.57 0.00 0.00 175.55 175.95 2mei s ASN 60 N 1.16 7.38 0.22 2.29 3.84 -1.26 -0.85 114.94 127.72 2mei s ASN 60 Ca 0.57 1.80 0.19 0.00 0.21 0.00 0.00 52.86 55.62 2mei s ASN 60 Cb -0.27 -2.58 0.90 0.00 -0.55 0.00 0.00 41.25 38.75 2mei s ASN 60 CO 0.27 -0.20 1.58 -1.54 -2.79 0.00 0.00 177.10 174.42 2mei n SER 61 N 3.29 0.47 0.23 -4.21 3.41 -0.22 -1.94 113.62 114.64 2mei n SER 61 Ca 0.04 0.67 0.13 0.00 -0.26 0.00 0.00 58.87 59.46 2mei n SER 61 Cb 0.49 -0.75 0.32 0.00 -0.26 0.00 0.00 64.21 64.02 2mei n SER 61 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 2mei h ARG 62 N 0.00 0.00 0.00 4.33 2.43 -1.83 -3.41 114.38 115.90 2mei h ARG 62 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2mei h ARG 62 Cb 0.16 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.71 2mei h ARG 62 CO 0.00 0.00 -0.73 0.66 -1.51 0.00 0.00 179.97 178.39 2mei n TYR 63 N -3.03 0.00 -0.10 2.20 4.01 -1.00 -0.59 117.16 118.66 2mei n TYR 63 Ca 0.03 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.64 2mei n TYR 63 Cb 0.46 0.00 -0.14 0.00 -0.31 0.00 0.00 39.34 39.35 2mei n TYR 63 CO 0.00 0.00 0.00 0.91 -0.46 0.00 0.00 176.86 177.31 2mei n TRP 64 N -2.25 0.18 -4.12 -0.72 7.02 -0.82 -1.24 117.44 115.49 2mei n TRP 64 Ca 0.00 0.05 -0.08 0.00 -1.02 0.00 0.00 57.50 56.45 2mei n TRP 64 Cb 0.37 -1.03 -0.10 0.00 -2.42 0.00 0.00 31.31 28.13 2mei n TRP 64 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2mei s ASN 66 N -2.97 5.77 0.00 0.00 2.47 -0.20 -4.59 114.94 115.42 2mei s ASN 66 Ca 0.13 0.03 0.01 0.00 0.42 0.00 0.00 52.86 53.45 2mei s ASN 66 Cb 0.08 -2.03 0.01 0.00 -1.45 0.00 0.00 41.25 37.85 2mei s ASN 66 CO -0.05 0.07 0.61 -0.90 -3.72 0.00 0.00 177.10 173.11 2mei n ASP 67 N 4.24 1.23 0.00 -4.21 5.75 -1.26 -1.35 116.55 120.95 2mei n ASP 67 Ca -0.16 -1.21 0.00 0.00 -0.01 0.00 0.00 54.79 53.42 2mei n ASP 67 Cb 0.52 -0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.61 2mei n ASP 67 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2mei n GLY 68 N -0.06 1.77 0.88 6.12 0.00 -1.26 -4.72 105.19 107.92 2mei n GLY 68 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.12 2mei n GLY 68 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2mei n LYS 69 N -1.09 2.08 -3.40 1.61 2.85 -1.26 -4.93 118.16 114.03 2mei n LYS 69 Ca 0.00 -1.95 -0.39 0.00 -1.05 0.00 0.00 58.31 54.93 2mei n LYS 69 Cb 0.00 -1.39 -0.09 0.00 -0.65 0.00 0.00 35.03 32.90 2mei n LYS 69 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 2mei s THR 70 N -1.31 5.19 0.47 0.58 2.01 -1.26 -4.97 115.64 116.34 2mei s THR 70 Ca 0.29 0.60 -0.24 0.00 0.31 0.00 0.00 61.69 62.65 2mei s THR 70 Cb 0.17 -3.70 -0.07 0.00 0.01 0.00 0.00 72.50 68.91 2mei s THR 70 CO 0.24 0.19 1.29 -2.84 -0.69 0.00 0.00 174.62 172.82 2mei s PRO 71 N 1.82 3.62 -1.65 4.92 0.02 -1.26 -3.50 135.00 138.97 2mei s PRO 71 Ca 0.16 2.10 -0.16 0.00 0.02 0.00 0.00 61.00 63.12 2mei s PRO 71 Cb -0.15 -2.49 0.13 0.00 0.02 0.00 0.00 34.50 32.01 2mei s PRO 71 CO 0.09 -0.76 0.77 0.41 -0.33 0.00 0.00 177.00 177.18 2mei n GLY 72 N 0.62 -0.43 3.93 0.52 0.00 -1.26 -4.94 105.19 103.63 2mei n GLY 72 Ca 0.07 0.14 -0.27 0.00 0.00 0.00 0.00 46.02 45.97 2mei n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2mei s ALA 73 N -3.37 3.83 0.37 4.61 0.00 -1.23 -4.96 121.76 121.01 2mei s ALA 73 Ca 0.65 -0.87 0.06 0.00 0.00 0.00 0.00 51.96 51.80 2mei s ALA 73 Cb -0.35 -1.99 -0.07 0.00 0.00 0.00 0.00 23.12 20.71 2mei s ALA 73 CO 0.91 0.38 0.02 0.14 0.00 0.00 0.00 175.76 177.21 2mei s VAL 74 N -1.92 1.68 -0.47 0.00 -7.23 0.24 -4.99 120.40 107.71 2mei s VAL 74 Ca 0.38 -2.01 0.07 0.00 -1.81 0.00 0.00 61.98 58.61 2mei s VAL 74 Cb -0.11 -2.88 0.23 0.00 0.56 0.00 0.00 36.38 34.18 2mei s VAL 74 CO 0.30 -0.02 0.55 -3.20 -0.31 0.00 0.00 175.10 172.41 2mei n ASN 75 N -0.84 1.12 0.03 4.85 5.15 -1.25 -3.77 115.26 120.55 2mei n ASN 75 Ca -0.04 -2.86 0.04 0.00 -0.60 0.00 0.00 54.58 51.12 2mei n ASN 75 Cb 0.67 -0.64 0.45 0.00 -0.53 0.00 0.00 39.78 39.72 2mei n ASN 75 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2mei h ALA 76 N 4.36 1.73 -0.00 5.20 0.00 -1.24 -1.34 119.26 127.97 2mei h ALA 76 Ca 0.13 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2mei h ALA 76 Cb 0.82 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.47 2mei h ALA 76 CO 0.55 0.24 -0.13 0.00 0.00 0.00 0.00 179.25 179.92 2mei n HIS 78 N -1.07 -1.92 -4.04 0.00 -0.00 -0.50 -4.98 115.22 102.71 2mei n HIS 78 Ca 0.13 0.73 -0.09 0.00 -0.00 0.00 0.00 57.72 58.49 2mei n HIS 78 Cb 0.29 -4.04 -0.11 0.00 -0.00 0.00 0.00 29.99 26.13 2mei n HIS 78 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 2mei s LEU 79 N -6.55 2.35 0.34 2.41 1.43 -1.26 -5.07 118.68 112.33 2mei s LEU 79 Ca 0.16 -0.71 -0.26 0.00 -1.03 0.00 0.00 54.13 52.29 2mei s LEU 79 Cb -0.05 0.11 -0.10 0.00 0.03 0.00 0.00 46.19 46.19 2mei s LEU 79 CO 0.83 -0.41 1.00 -0.55 0.23 0.00 0.00 176.35 177.44 2mei s SER 80 N -2.09 7.13 0.64 2.29 0.15 -1.26 -1.03 113.70 119.54 2mei s SER 80 Ca -0.06 1.95 0.42 0.00 0.70 0.00 0.00 55.95 58.97 2mei s SER 80 Cb -0.03 -2.59 2.21 0.00 -1.71 0.00 0.00 66.02 63.91 2mei s SER 80 CO -0.04 -0.22 2.29 0.00 1.20 0.00 0.00 173.24 176.47 2mei h SER 82 N 0.00 0.83 0.28 0.00 0.87 -1.91 -1.94 113.55 111.68 2mei h SER 82 Ca -0.00 -0.06 -0.01 0.00 -1.23 0.00 0.00 61.79 60.49 2mei h SER 82 Cb 0.11 -0.21 -0.00 0.00 -0.44 0.00 0.00 62.40 61.86 2mei h SER 82 CO 0.00 0.66 -0.05 0.00 -0.53 0.00 0.00 176.83 176.91 2mei h ALA 83 N 1.48 1.21 -0.33 6.23 0.00 -1.69 -1.46 119.26 124.70 2mei h ALA 83 Ca 0.24 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.11 2mei h ALA 83 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2mei h ALA 83 CO -0.04 0.06 0.00 1.28 0.00 0.00 0.00 179.25 180.55 2mei n LEU 84 N -3.45 1.80 -0.22 0.00 4.77 -0.73 -3.44 117.00 115.74 2mei n LEU 84 Ca -0.02 -0.90 0.02 0.00 -0.03 0.00 0.00 56.01 55.08 2mei n LEU 84 Cb 0.17 -0.22 0.05 0.00 -2.33 0.00 0.00 43.42 41.09 2mei n LEU 84 CO 0.26 0.45 0.52 0.18 -1.33 0.00 0.00 177.39 177.47 2mei n LEU 85 N 0.48 2.23 -4.85 2.23 4.77 -0.55 -3.43 117.00 117.89 2mei n LEU 85 Ca 0.11 -1.91 -0.31 0.00 -0.03 0.00 0.00 56.01 53.88 2mei n LEU 85 Cb 0.29 -0.07 0.04 0.00 -2.33 0.00 0.00 43.42 41.34 2mei n LEU 85 CO 0.08 0.55 0.72 -1.10 -1.33 0.00 0.00 177.39 176.31 2mei s GLN 86 N -0.94 3.16 0.21 3.23 -0.21 -1.22 -4.55 119.66 119.34 2mei s GLN 86 Ca 0.08 0.81 0.07 0.00 0.02 0.00 0.00 55.36 56.34 2mei s GLN 86 Cb 0.04 -2.03 0.12 0.00 1.00 0.00 0.00 33.01 32.15 2mei s GLN 86 CO 0.05 -0.90 1.47 -0.44 -2.12 0.00 0.00 175.29 173.36 2mei h ASP 87 N -0.57 0.10 -3.24 5.90 5.19 -1.93 -3.42 116.42 118.46 2mei h ASP 87 Ca -0.44 -0.07 -0.58 0.00 -0.62 0.00 0.00 57.03 55.32 2mei h ASP 87 Cb 1.21 -0.03 -0.06 0.00 0.18 0.00 0.00 39.33 40.63 2mei h ASP 87 CO 0.60 0.83 0.54 0.21 -3.12 0.00 0.00 179.24 178.29 2mei s ASN 88 N -6.84 7.02 -0.01 6.45 3.84 -1.26 -4.90 114.94 119.23 2mei s ASN 88 Ca -0.01 1.27 0.14 0.00 0.21 0.00 0.00 52.86 54.46 2mei s ASN 88 Cb 0.11 -2.49 0.42 0.00 -0.55 0.00 0.00 41.25 38.74 2mei s ASN 88 CO 0.80 -0.49 1.33 2.30 -2.79 0.00 0.00 177.10 178.25 2mei n ILE 89 N 4.93 0.72 -0.15 -5.21 -5.35 -1.26 -4.50 119.36 108.53 2mei n ILE 89 Ca 0.07 -0.64 -0.03 0.00 -0.27 0.00 0.00 62.75 61.89 2mei n ILE 89 Cb 0.48 0.24 0.06 0.00 -1.74 0.00 0.00 39.64 38.68 2mei n ILE 89 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2mei h ALA 90 N 3.79 0.47 -0.44 -1.28 0.00 -1.96 0.27 119.26 120.11 2mei h ALA 90 Ca 0.00 0.14 -0.12 0.00 0.00 0.00 0.00 54.91 54.93 2mei h ALA 90 Cb 0.69 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 2mei h ALA 90 CO 0.03 -0.37 -0.20 -0.44 0.00 0.00 0.00 179.25 178.26 2mei h ASP 91 N 0.13 0.88 -0.71 0.00 3.32 -1.88 -1.63 116.42 116.52 2mei h ASP 91 Ca 0.24 -0.31 -0.02 0.00 0.02 0.00 0.00 57.03 56.96 2mei h ASP 91 Cb 0.36 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.63 2mei h ASP 91 CO -0.39 1.05 0.37 0.00 -1.72 0.00 0.00 179.24 178.56 2mei h ALA 92 N 1.01 1.28 -0.33 3.45 0.00 -1.60 -1.23 119.26 121.85 2mei h ALA 92 Ca 0.11 -0.13 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 2mei h ALA 92 Cb 0.73 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2mei h ALA 92 CO 0.06 0.57 -0.27 0.28 0.00 0.00 0.00 179.25 179.88 2mei h VAL 93 N 1.03 1.29 -0.73 0.00 2.07 -0.69 0.03 116.25 119.25 2mei h VAL 93 Ca 0.26 -1.43 0.02 0.00 0.82 0.00 0.00 66.70 66.36 2mei h VAL 93 Cb 0.07 1.47 -0.04 0.00 -1.52 0.00 0.00 31.29 31.27 2mei h VAL 93 CO -0.04 0.47 0.48 0.00 0.02 0.00 0.00 177.57 178.50 2mei h ALA 94 N 0.74 1.52 -0.11 1.67 0.00 -1.03 -1.10 119.26 120.96 2mei h ALA 94 Ca 0.06 -0.04 -0.20 0.00 0.00 0.00 0.00 54.91 54.73 2mei h ALA 94 Cb 0.84 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.36 2mei h ALA 94 CO 0.07 0.43 -0.74 0.00 0.00 0.00 0.00 179.25 179.01 2mei h ALA 96 N 0.81 1.19 -0.60 0.00 0.00 -0.42 -0.09 119.26 120.14 2mei h ALA 96 Ca -0.04 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.62 2mei h ALA 96 Cb 1.33 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 2mei h ALA 96 CO 0.14 0.58 0.08 0.87 0.00 0.00 0.00 179.25 180.92 2mei h LYS 97 N 0.93 0.97 -0.34 0.00 1.57 -1.14 -2.53 116.57 116.04 2mei h LYS 97 Ca 0.21 -0.25 -0.03 0.00 -1.87 0.00 0.00 60.65 58.72 2mei h LYS 97 Cb 0.23 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 2mei h LYS 97 CO -0.01 0.91 0.10 -0.09 -0.57 0.00 0.00 179.45 179.79 2mei h ARG 98 N 0.92 0.52 -0.62 3.15 9.65 -0.98 -2.82 114.38 124.19 2mei h ARG 98 Ca 0.18 -0.12 0.06 0.00 -1.10 0.00 0.00 59.98 59.01 2mei h ARG 98 Cb 0.42 -0.07 -0.05 0.00 -1.39 0.00 0.00 29.97 28.87 2mei h ARG 98 CO 0.01 0.56 0.33 0.28 2.80 0.00 0.00 179.97 183.96 2mei h VAL 99 N 0.39 0.95 0.00 0.20 2.07 -0.75 -2.36 116.25 116.75 2mei h VAL 99 Ca 0.11 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.42 2mei h VAL 99 Cb 0.26 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 30.30 2mei h VAL 99 CO -0.00 0.11 0.00 1.33 0.02 0.00 0.00 177.57 179.03 2mei n VAL 100 N -4.82 0.02 0.46 2.57 0.24 -0.98 -2.73 118.33 113.08 2mei n VAL 100 Ca 0.07 0.00 0.13 0.00 -2.04 0.00 0.00 64.34 62.51 2mei n VAL 100 Cb 0.17 -0.51 0.43 0.00 -1.47 0.00 0.00 33.84 32.46 2mei n VAL 100 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 2mei h ARG 101 N 0.00 0.00 -7.37 7.34 2.43 -1.16 -3.39 114.38 112.23 2mei h ARG 101 Ca 0.00 0.00 -0.50 0.00 -0.81 0.00 0.00 59.98 58.67 2mei h ARG 101 Cb 0.22 0.00 0.09 0.00 -0.42 0.00 0.00 29.97 29.86 2mei h ARG 101 CO 0.00 0.00 0.38 -0.51 -1.51 0.00 0.00 179.97 178.33 2mei s ASP 102 N -4.80 5.42 0.38 -3.80 1.01 -1.10 -4.97 116.67 108.80 2mei s ASP 102 Ca 0.07 1.45 0.11 0.00 0.71 0.00 0.00 52.55 54.89 2mei s ASP 102 Cb 0.10 -2.33 0.88 0.00 1.01 0.00 0.00 42.92 42.58 2mei s ASP 102 CO 0.54 -1.40 1.89 1.55 0.21 0.00 0.00 175.17 177.96 2mei h PRO 103 N -0.69 0.60 -0.01 8.23 0.13 -1.89 -2.41 132.00 135.97 2mei h PRO 103 Ca -0.45 -0.04 -0.04 0.00 -0.87 0.00 0.00 66.00 64.61 2mei h PRO 103 Cb 1.22 -0.13 -0.01 0.00 0.13 0.00 0.00 31.00 32.21 2mei h PRO 103 CO 0.59 0.39 -0.18 1.96 -0.23 0.00 0.00 178.00 180.54 2mei h GLN 104 N 0.61 0.01 0.00 0.86 4.20 -1.91 -3.48 115.11 115.40 2mei h GLN 104 Ca 0.42 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.13 2mei h GLN 104 Cb 0.73 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.51 2mei h GLN 104 CO -0.17 0.19 0.00 0.41 -0.67 0.00 0.00 178.83 178.59 2mei n GLY 105 N -1.01 2.32 0.30 3.46 0.00 -0.91 -2.33 105.19 107.02 2mei n GLY 105 Ca -0.02 -0.44 0.18 0.00 0.00 0.00 0.00 46.02 45.74 2mei n GLY 105 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2mei h ILE 106 N 0.00 0.10 0.00 -0.61 6.09 -1.91 -2.50 117.51 118.68 2mei h ILE 106 Ca 0.00 -0.35 0.00 0.00 -1.37 0.00 0.00 64.86 63.14 2mei h ILE 106 Cb 0.00 1.32 0.00 0.00 0.47 0.00 0.00 36.82 38.61 2mei h ILE 106 CO 0.00 0.02 0.00 0.54 -3.07 0.00 0.00 178.15 175.64 2mei n ARG 107 N -3.18 0.02 0.22 2.19 1.74 -0.98 -2.79 116.66 113.87 2mei n ARG 107 Ca -0.01 0.34 0.17 0.00 -0.77 0.00 0.00 57.85 57.57 2mei n ARG 107 Cb 0.22 -1.54 0.84 0.00 -1.02 0.00 0.00 32.46 30.96 2mei n ARG 107 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2mei h ALA 108 N 2.34 1.76 -2.68 7.54 0.00 -1.60 -3.37 119.26 123.26 2mei h ALA 108 Ca 0.00 -0.01 -0.69 0.00 0.00 0.00 0.00 54.91 54.22 2mei h ALA 108 Cb 0.19 0.01 -0.20 0.00 0.00 0.00 0.00 17.79 17.79 2mei h ALA 108 CO 0.00 -0.25 -0.47 -1.58 0.00 0.00 0.00 179.25 176.95 2mei s TRP 109 N -4.64 3.23 0.37 0.00 0.51 -1.12 -4.97 118.94 112.32 2mei s TRP 109 Ca -0.05 -0.31 0.07 0.00 -2.12 0.00 0.00 56.10 53.69 2mei s TRP 109 Cb 0.15 -2.49 0.78 0.00 -0.81 0.00 0.00 33.47 31.09 2mei s TRP 109 CO 0.55 -0.41 1.96 0.28 -0.51 0.00 0.00 176.95 178.82 2mei h VAL 110 N 5.53 1.01 -0.59 4.03 2.07 -1.89 -1.57 116.25 124.82 2mei h VAL 110 Ca -0.30 -0.24 0.05 0.00 0.82 0.00 0.00 66.70 67.02 2mei h VAL 110 Cb 1.15 0.23 -0.03 0.00 -1.52 0.00 0.00 31.29 31.12 2mei h VAL 110 CO 0.65 0.13 0.39 0.00 0.02 0.00 0.00 177.57 178.77 2mei h ALA 111 N 1.62 1.75 -0.56 1.67 0.00 -1.93 -2.13 119.26 119.69 2mei h ALA 111 Ca 0.31 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 2mei h ALA 111 Cb 0.29 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 2mei h ALA 111 CO -0.10 0.17 0.34 2.35 0.00 0.00 0.00 179.25 182.00 2mei h TRP 112 N 0.63 0.74 -0.65 0.00 7.01 -1.60 0.16 115.95 122.23 2mei h TRP 112 Ca 0.25 -0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.25 2mei h TRP 112 Cb 0.18 -0.24 -0.03 0.00 -2.10 0.00 0.00 29.16 26.97 2mei h TRP 112 CO -0.00 0.51 0.42 0.00 -2.79 0.00 0.00 178.44 176.58 2mei h ARG 113 N 0.75 0.87 -0.14 2.65 3.08 -1.45 0.23 114.38 120.37 2mei h ARG 113 Ca 0.20 -0.06 -0.12 0.00 0.07 0.00 0.00 59.98 60.07 2mei h ARG 113 Cb -0.01 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 29.85 2mei h ARG 113 CO -0.04 0.59 -0.36 -0.91 -1.07 0.00 0.00 179.97 178.18 2mei h ASN 114 N 0.89 0.56 -0.00 7.04 2.35 -1.14 -3.36 115.58 121.91 2mei h ASN 114 Ca 0.24 -0.58 0.00 0.00 -0.55 0.00 0.00 56.30 55.40 2mei h ASN 114 Cb -0.08 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.13 2mei h ASN 114 CO -0.05 1.04 -0.50 -2.11 -1.65 0.00 0.00 177.43 174.16 2mei n ARG 115 N -4.33 3.02 0.00 0.81 0.00 0.01 -4.85 116.66 111.32 2mei n ARG 115 Ca -0.07 -0.10 0.00 0.00 -0.00 0.00 0.00 57.85 57.69 2mei n ARG 115 Cb 0.52 -1.06 0.00 0.00 -0.00 0.00 0.00 32.46 31.92 2mei n ARG 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2mei n GLN 117 N -2.36 2.42 -1.37 0.00 7.27 -0.29 -2.34 117.38 120.71 2mei n GLN 117 Ca 0.00 0.86 -0.13 0.00 0.07 0.00 0.00 57.00 57.81 2mei n GLN 117 Cb 0.44 -2.61 -0.05 0.00 2.41 0.00 0.00 30.24 30.43 2mei n GLN 117 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 2mei n ASN 118 N 2.42 -5.12 -4.69 1.69 5.03 -1.26 -4.97 115.26 108.36 2mei n ASN 118 Ca 0.11 0.32 -0.24 0.00 0.87 0.00 0.00 54.58 55.64 2mei n ASN 118 Cb 0.34 -3.75 -0.07 0.00 -1.02 0.00 0.00 39.78 35.28 2mei n ASN 118 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 2mei s ARG 119 N -2.99 2.22 -0.72 3.52 0.52 -0.99 -5.06 118.95 115.46 2mei s ARG 119 Ca 0.00 -1.70 -0.26 0.00 -0.52 0.00 0.00 55.73 53.25 2mei s ARG 119 Cb 0.00 -2.03 0.04 0.00 0.52 0.00 0.00 34.95 33.48 2mei s ARG 119 CO 0.00 0.07 1.22 0.34 0.02 0.00 0.00 175.30 176.95 2mei s ASP 120 N -3.81 6.18 0.00 0.23 -1.08 -1.26 -4.84 116.67 112.09 2mei s ASP 120 Ca 0.37 -0.51 0.21 0.00 -0.52 0.00 0.00 52.55 52.10 2mei s ASP 120 Cb 0.00 -2.53 0.53 0.00 -1.46 0.00 0.00 42.92 39.46 2mei s ASP 120 CO 0.21 -1.75 1.45 1.33 0.52 0.00 0.00 175.17 176.93 2mei n VAL 121 N 6.32 0.64 -0.17 1.11 0.24 -1.26 -4.46 118.33 120.74 2mei n VAL 121 Ca 0.02 -0.74 0.11 0.00 -2.04 0.00 0.00 64.34 61.70 2mei n VAL 121 Cb 0.48 0.60 0.43 0.00 -1.47 0.00 0.00 33.84 33.89 2mei n VAL 121 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 2mei h ARG 122 N 3.73 0.55 -0.20 7.34 3.08 -1.92 -2.30 114.38 124.66 2mei h ARG 122 Ca 0.00 -0.03 0.06 0.00 0.07 0.00 0.00 59.98 60.07 2mei h ARG 122 Cb 0.84 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.76 2mei h ARG 122 CO 0.00 0.36 0.25 -0.56 -1.07 0.00 0.00 179.97 178.95 2mei h GLN 123 N 0.57 0.00 0.00 0.04 3.07 -1.97 -2.02 115.11 114.80 2mei h GLN 123 Ca 0.35 0.00 -0.08 0.00 0.09 0.00 0.00 58.65 59.01 2mei h GLN 123 Cb 0.58 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.13 2mei h GLN 123 CO -0.12 0.00 -0.36 1.88 0.09 0.00 0.00 178.83 180.31 2mei h TYR 124 N 0.00 0.00 -0.00 0.06 0.05 -1.74 -3.28 116.97 112.05 2mei h TYR 124 Ca 0.09 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.87 2mei h TYR 124 Cb 0.59 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.33 2mei h TYR 124 CO 0.00 0.36 -0.03 1.33 -1.05 0.00 0.00 178.16 178.78 2mei n VAL 125 N -3.77 0.00 -1.83 -2.88 0.24 -0.80 -4.85 118.33 104.43 2mei n VAL 125 Ca -0.01 -0.49 -0.42 0.00 -2.04 0.00 0.00 64.34 61.38 2mei n VAL 125 Cb 0.45 1.08 -0.03 0.00 -1.47 0.00 0.00 33.84 33.87 2mei n VAL 125 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 2mei s GLN 126 N -0.54 4.17 0.00 7.34 -1.52 -0.94 -2.23 119.66 125.94 2mei s GLN 126 Ca 0.05 2.45 0.00 0.00 -1.95 0.00 0.00 55.36 55.91 2mei s GLN 126 Cb 0.04 -3.58 0.00 0.00 -0.22 0.00 0.00 33.01 29.25 2mei s GLN 126 CO 0.07 -0.78 0.00 0.41 -0.25 0.00 0.00 175.29 174.75 2mei n GLY 127 N 4.09 1.04 0.02 3.09 0.00 -1.26 -4.92 105.19 107.25 2mei n GLY 127 Ca 0.17 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.33 2mei n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2mei n GLY 129 N 1.41 0.42 0.63 0.00 0.00 -1.26 -4.83 105.19 101.56 2mei n GLY 129 Ca 0.10 -0.79 0.08 0.00 0.00 0.00 0.00 46.02 45.41 2mei n GLY 129 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65